Home Nitriles 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonitrile

1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonitrile

CAS No.:
1340521-87-0
Catalog Number:
AG01A0I0
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
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Product Description
Catalog Number:
AG01A0I0
Chemical Name:
1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonitrile
CAS Number:
1340521-87-0
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD19677374
IUPAC Name:
1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonitrile
InChI:
InChI=1S/C9H12N2O/c10-4-8-3-9(12)11(6-8)5-7-1-2-7/h7-8H,1-3,5-6H2
InChI Key:
PZHRRRAURZGFNL-UHFFFAOYSA-N
SMILES:
N#CC1CN(C(=O)C1)CC1CC1
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties